1-(3-bromo-2-fluorophenyl)-N-methyl-1-naphthalen-2-ylmethanamine

C18H15BrFN — CID 106645505

IUPAC1-(3-bromo-2-fluorophenyl)-N-methyl-1-naphthalen-2-ylmethanamine
SMILESCNC(c1ccc2ccccc2c1)c1cccc(Br)c1F
InChIInChI=1S/C18H15BrFN/c1-21-18(15-7-4-8-16(19)17(15)20)14-10-9-12-5-2-3-6-13(12)11-14/h2-11,18,21H,1H3
InChIKeyMZXSTRWAMSWJAL-UHFFFAOYSA-N
MW344.23 g/mol
LogP5.05
Rot. Bonds3

About 1-(3-bromo-2-fluorophenyl)-N-methyl-1-naphthalen-2-ylmethanamine

1-(3-bromo-2-fluorophenyl)-N-methyl-1-naphthalen-2-ylmethanamine (PubChem CID 106645505) has the molecular formula C18H15BrFN and a molecular weight of 344.23 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)-N-methyl-1-naphthalen-2-ylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)-N-methyl-1-naphthalen-2-ylmethanamine
PubChem CID106645505
Molecular FormulaC18H15BrFN
Molecular Weight344.23 g/mol
Exact Mass343.04
IUPAC Name1-(3-bromo-2-fluorophenyl)-N-methyl-1-naphthalen-2-ylmethanamine
SMILESCNC(c1ccc2ccccc2c1)c1cccc(Br)c1F
InChIInChI=1S/C18H15BrFN/c1-21-18(15-7-4-8-16(19)17(15)20)14-10-9-12-5-2-3-6-13(12)11-14/h2-11,18,21H,1H3
InChIKeyMZXSTRWAMSWJAL-UHFFFAOYSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.23
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-2-fluorophenyl)-1-(3,4-diethylphenyl)-N-methylmethanamine
CID 107950854
1-(3-bromo-2-fluorophenyl)-N-methyl-1-quinoxalin-6-ylmethanamine
CID 106645604
1-(3-bromo-2-fluorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 107953458
1-(3-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)-N-methylmethanamine
CID 106647686
1-(1-benzofuran-2-yl)-1-(3-bromo-2-fluorophenyl)-N-methylmethanamine
CID 106645563
1-(2-chlorophenyl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 62716429
1-(3-bromo-4-fluorophenyl)-1-(2-bromophenyl)-N-methylmethanamine
CID 79746439
1-(2-fluoro-4-methylphenyl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 115850961
1-(3-bromo-2-fluorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylmethanamine
CID 107950500
[(2,3-difluorophenyl)-naphthalen-2-ylmethyl]hydrazine
CID 105213346
1-(6-bromonaphthalen-2-yl)-N-methyl-1-(2-methylphenyl)methanamine
CID 115795109
1-(3-bromo-2-fluorophenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine
CID 106858995

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)-N-methyl-1-naphthalen-2-ylmethanamine?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)-N-methyl-1-naphthalen-2-ylmethanamine (CID 106645505) is 1-(3-bromo-2-fluorophenyl)-N-methyl-1-naphthalen-2-ylmethanamine.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)-N-methyl-1-naphthalen-2-ylmethanamine?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)-N-methyl-1-naphthalen-2-ylmethanamine is CNC(c1ccc2ccccc2c1)c1cccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)-N-methyl-1-naphthalen-2-ylmethanamine?
The InChIKey is MZXSTRWAMSWJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrFN/c1-21-18(15-7-4-8-16(19)17(15)20)14-10-9-12-5-2-3-6-13(12)11-14/h2-11,18,21H,1H3.
What are the key properties of 1-(3-bromo-2-fluorophenyl)-N-methyl-1-naphthalen-2-ylmethanamine?
1-(3-bromo-2-fluorophenyl)-N-methyl-1-naphthalen-2-ylmethanamine has a molecular weight of 344.23 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluorophenyl)-N-methyl-1-naphthalen-2-ylmethanamine is sourced from PubChem (CID 106645505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).